ethyl 5-methoxy-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate

C10H11N3O4 — CID 135905324

IUPACethyl 5-methoxy-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
SMILESCCOC(=O)c1cn2nc[nH]c(=O)c2c1OC
InChIInChI=1S/C10H11N3O4/c1-3-17-10(15)6-4-13-7(8(6)16-2)9(14)11-5-12-13/h4-5H,3H2,1-2H3,(H,11,12,14)
InChIKeyRBQPHKXLBOYQFO-UHFFFAOYSA-N
MW237.21 g/mol
LogP0.21
Rot. Bonds3

About ethyl 5-methoxy-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate

ethyl 5-methoxy-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate (PubChem CID 135905324) has the molecular formula C10H11N3O4 and a molecular weight of 237.21 g/mol. Its IUPAC name is ethyl 5-methoxy-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate.

Molecular Properties

Compound Nameethyl 5-methoxy-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
PubChem CID135905324
Molecular FormulaC10H11N3O4
Molecular Weight237.21 g/mol
Exact Mass237.07
IUPAC Nameethyl 5-methoxy-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
SMILESCCOC(=O)c1cn2nc[nH]c(=O)c2c1OC
InChIInChI=1S/C10H11N3O4/c1-3-17-10(15)6-4-13-7(8(6)16-2)9(14)11-5-12-13/h4-5H,3H2,1-2H3,(H,11,12,14)
InChIKeyRBQPHKXLBOYQFO-UHFFFAOYSA-N
XLogP0.21
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.21
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl 4-hydroxy-5-isopropylpyrrolo[1,2-F][1,2,4]triazine-6-carboxylate
CID 135410235
Methyl 5-methyl-4-oxo-3,4-dihydropyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
CID 135510278
Diethyl 3-methoxy-1H-pyrrole-2,4-dicarboxylate
CID 12985910
1-Amino-3-methoxy-1H-pyrrole-2,4-dicarboxylic acid diethyl ester
CID 12985911
Ethyl 1,4-dihydro-5-methyl-4-oxopyrrolo(2,1-f)(1,2,4)triazine-6-carboxylate
CID 135438448
[6-(Hydroxymethyl)-5-methoxy-4-oxopyrrolo[2,1-f][1,2,4]triazin-3-yl]methyl 2,2-dimethylpropanoate
CID 12985916
(6-Formyl-5-methoxy-4-oxopyrrolo[2,1-f][1,2,4]triazin-3-yl)methyl 2,2-dimethylpropanoate
CID 12985917
ethyl 3-isocyano-5-methoxy-4-oxo-1H-pyrrolo[1,2-b]pyridazine-6-carboxylate
CID 21025137
1-Amino-3-methoxypyrrole-2,4-dicarboxylic acid
CID 21945755
3-methoxy-1H-pyrrole-2,4-dicarboxylic acid
CID 21945880
2-O-ethyl 4-O-prop-2-enyl 3-methoxy-1H-pyrrole-2,4-dicarboxylate
CID 23446376
3-methoxy-4-prop-2-enoxycarbonyl-1H-pyrrole-2-carboxylic acid
CID 23446394

Frequently Asked Questions

What is the IUPAC name of ethyl 5-methoxy-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate?
The IUPAC name of ethyl 5-methoxy-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate (CID 135905324) is ethyl 5-methoxy-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate.
What is the SMILES notation for ethyl 5-methoxy-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate?
The canonical SMILES for ethyl 5-methoxy-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate is CCOC(=O)c1cn2nc[nH]c(=O)c2c1OC.
What is the InChIKey of ethyl 5-methoxy-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate?
The InChIKey is RBQPHKXLBOYQFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O4/c1-3-17-10(15)6-4-13-7(8(6)16-2)9(14)11-5-12-13/h4-5H,3H2,1-2H3,(H,11,12,14).
What are the key properties of ethyl 5-methoxy-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate?
ethyl 5-methoxy-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate has a molecular weight of 237.21 g/mol, XLogP of 0.21, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methoxy-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate is sourced from PubChem (CID 135905324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).